N-(1-aminopropan-2-yl)-2,3,4-trimethoxy-N-methylbenzamide

C14H22N2O4 — CID 104556591

IUPACN-(1-aminopropan-2-yl)-2,3,4-trimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)C(C)CN)c(OC)c1OC
InChIInChI=1S/C14H22N2O4/c1-9(8-15)16(2)14(17)10-6-7-11(18-3)13(20-5)12(10)19-4/h6-7,9H,8,15H2,1-5H3
InChIKeyJUKKZIKOQUXQQG-UHFFFAOYSA-N
MW282.34 g/mol
LogP1.13
Rot. Bonds6

About N-(1-aminopropan-2-yl)-2,3,4-trimethoxy-N-methylbenzamide

N-(1-aminopropan-2-yl)-2,3,4-trimethoxy-N-methylbenzamide (PubChem CID 104556591) has the molecular formula C14H22N2O4 and a molecular weight of 282.34 g/mol. Its IUPAC name is N-(1-aminopropan-2-yl)-2,3,4-trimethoxy-N-methylbenzamide.

Molecular Properties

Compound NameN-(1-aminopropan-2-yl)-2,3,4-trimethoxy-N-methylbenzamide
PubChem CID104556591
Molecular FormulaC14H22N2O4
Molecular Weight282.34 g/mol
Exact Mass282.16
IUPAC NameN-(1-aminopropan-2-yl)-2,3,4-trimethoxy-N-methylbenzamide
SMILESCOc1ccc(C(=O)N(C)C(C)CN)c(OC)c1OC
InChIInChI=1S/C14H22N2O4/c1-9(8-15)16(2)14(17)10-6-7-11(18-3)13(20-5)12(10)19-4/h6-7,9H,8,15H2,1-5H3
InChIKeyJUKKZIKOQUXQQG-UHFFFAOYSA-N
XLogP1.13
TPSA74.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 51.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-aminopropan-2-yl)-2,4-dimethoxy-N-methylbenzamide
CID 112701391
N-(1-bromopropan-2-yl)-2,3-dimethoxy-N-methylbenzamide
CID 113426448
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide
CID 112701397
N-(3-hydroxybutyl)-2,3,4-trimethoxy-N-methylbenzamide
CID 115673465
N-(1-aminopropan-2-yl)-3,4-dimethoxy-N-methylbenzamide;hydrochloride
CID 119583303
N-(1-aminopropan-2-yl)-N-methylnaphthalene-1-carboxamide
CID 112701394
N-(2-hydroxyethyl)-2,3,4-trimethoxy-N-methylbenzamide
CID 60652690
N-(3-amino-2,2-dimethylpropyl)-2,3,4-trimethoxy-N-methylbenzamide;hydrochloride
CID 119654821
N-(1-aminopropan-2-yl)-2-iodo-4-methoxy-N-methylbenzamide;hydrochloride
CID 119581718
N-(1-aminopropan-2-yl)-4-ethoxy-3-methoxy-N-methylbenzamide;hydrochloride
CID 119582790
2,3,4-trimethoxy-N-methyl-N-phenylbenzamide
CID 51161127
N-[(2S)-2-hydroxypropyl]-2,3,4-trimethoxybenzamide
CID 83030336

Frequently Asked Questions

What is the IUPAC name of N-(1-aminopropan-2-yl)-2,3,4-trimethoxy-N-methylbenzamide?
The IUPAC name of N-(1-aminopropan-2-yl)-2,3,4-trimethoxy-N-methylbenzamide (CID 104556591) is N-(1-aminopropan-2-yl)-2,3,4-trimethoxy-N-methylbenzamide.
What is the SMILES notation for N-(1-aminopropan-2-yl)-2,3,4-trimethoxy-N-methylbenzamide?
The canonical SMILES for N-(1-aminopropan-2-yl)-2,3,4-trimethoxy-N-methylbenzamide is COc1ccc(C(=O)N(C)C(C)CN)c(OC)c1OC.
What is the InChIKey of N-(1-aminopropan-2-yl)-2,3,4-trimethoxy-N-methylbenzamide?
The InChIKey is JUKKZIKOQUXQQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O4/c1-9(8-15)16(2)14(17)10-6-7-11(18-3)13(20-5)12(10)19-4/h6-7,9H,8,15H2,1-5H3.
What are the key properties of N-(1-aminopropan-2-yl)-2,3,4-trimethoxy-N-methylbenzamide?
N-(1-aminopropan-2-yl)-2,3,4-trimethoxy-N-methylbenzamide has a molecular weight of 282.34 g/mol, XLogP of 1.13, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-aminopropan-2-yl)-2,3,4-trimethoxy-N-methylbenzamide is sourced from PubChem (CID 104556591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).